4-benzyl-5-pyrrolidin-3-yl-1,2-oxazole

C14H16N2O — CID 115036740

IUPAC4-benzyl-5-pyrrolidin-3-yl-1,2-oxazole
SMILESc1ccc(Cc2cnoc2C2CCNC2)cc1
InChIInChI=1S/C14H16N2O/c1-2-4-11(5-3-1)8-13-10-16-17-14(13)12-6-7-15-9-12/h1-5,10,12,15H,6-9H2
InChIKeyKIWHBMKCXBIKOT-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.34
Rot. Bonds3

About 4-benzyl-5-pyrrolidin-3-yl-1,2-oxazole

4-benzyl-5-pyrrolidin-3-yl-1,2-oxazole (PubChem CID 115036740) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-benzyl-5-pyrrolidin-3-yl-1,2-oxazole.

Molecular Properties

Compound Name4-benzyl-5-pyrrolidin-3-yl-1,2-oxazole
PubChem CID115036740
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name4-benzyl-5-pyrrolidin-3-yl-1,2-oxazole
SMILESc1ccc(Cc2cnoc2C2CCNC2)cc1
InChIInChI=1S/C14H16N2O/c1-2-4-11(5-3-1)8-13-10-16-17-14(13)12-6-7-15-9-12/h1-5,10,12,15H,6-9H2
InChIKeyKIWHBMKCXBIKOT-UHFFFAOYSA-N
XLogP2.34
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-benzyl-5-pyrrolidin-3-yl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-pyrrolidin-3-yl-1,2-oxazole?
The IUPAC name of 4-benzyl-5-pyrrolidin-3-yl-1,2-oxazole (CID 115036740) is 4-benzyl-5-pyrrolidin-3-yl-1,2-oxazole.
What is the SMILES notation for 4-benzyl-5-pyrrolidin-3-yl-1,2-oxazole?
The canonical SMILES for 4-benzyl-5-pyrrolidin-3-yl-1,2-oxazole is c1ccc(Cc2cnoc2C2CCNC2)cc1.
What is the InChIKey of 4-benzyl-5-pyrrolidin-3-yl-1,2-oxazole?
The InChIKey is KIWHBMKCXBIKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-4-11(5-3-1)8-13-10-16-17-14(13)12-6-7-15-9-12/h1-5,10,12,15H,6-9H2.
What are the key properties of 4-benzyl-5-pyrrolidin-3-yl-1,2-oxazole?
4-benzyl-5-pyrrolidin-3-yl-1,2-oxazole has a molecular weight of 228.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-pyrrolidin-3-yl-1,2-oxazole is sourced from PubChem (CID 115036740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).